Chemoinformaics analysis of GAMMA-L-GLUTAMYL-METHIONINE


Molecular Weight 277.322 nRot 9
Heavy Atom Molecular Weight 260.186 nRig 3
Exact Molecular Weight 277.086 nRing 0
Solubility: LogS -1.576 nHRing 0
Solubility: LogP -3.018 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 18 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 6 APOL 37.1455
nHD 2 BPOL 23.2845
QED 0.447
Synth 2.885
Natural Product Likeliness 0.051
NR-PPAR-gamma 0.026
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.374
HIA 0.029
CACO-2 -6.336
MDCK 0.0000133
BBB 0.423
PPB 0.127951
VDSS 0.39
FU 0.788832
CYP1A2-inh 0.002
CYP1A2-sub 0.023
CYP2c19-inh 0.03
CYP2c19-sub 0.038
CYP2c9-inh 0.088
CYP2c9-sub 0.502
CYP2d6-inh 0.016
CYP2d6-sub 0.122
CYP3a4-inh 0.014
CYP3a4-sub 0.005
CL 3.086
T12 0.778
hERG 0.009
Ames 0.015
ROA 0.004
SkinSen 0.1
Carcinogencity 0.067
EI 0.039
Respiratory 0.031
NR-Aromatase 0.005
Antiviral No
Prediction 0.790373